################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50090 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50090 1 2 '3D HNCACB' . . . 50090 1 3 '3D CBCA(CO)NH' . . . 50090 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 5 5 ARG CA C 13 56.500 0.000 . . . . . . . 268 R CA . 50090 1 2 . 1 . 1 5 5 ARG CB C 13 30.557 0.006 . . . . . . . 268 R CB . 50090 1 3 . 1 . 1 6 6 GLN H H 1 8.401 0.001 . . . . . . . 269 Q H . 50090 1 4 . 1 . 1 6 6 GLN CA C 13 56.325 0.072 . . . . . . . 269 Q CA . 50090 1 5 . 1 . 1 6 6 GLN CB C 13 29.190 0.026 . . . . . . . 269 Q CB . 50090 1 6 . 1 . 1 6 6 GLN N N 15 121.052 0.005 . . . . . . . 269 Q N . 50090 1 7 . 1 . 1 7 7 LEU H H 1 8.196 0.001 . . . . . . . 270 L H . 50090 1 8 . 1 . 1 7 7 LEU CA C 13 55.380 0.040 . . . . . . . 270 L CA . 50090 1 9 . 1 . 1 7 7 LEU CB C 13 42.258 0.015 . . . . . . . 270 L CB . 50090 1 10 . 1 . 1 7 7 LEU N N 15 122.856 0.022 . . . . . . . 270 L N . 50090 1 11 . 1 . 1 8 8 GLU H H 1 8.322 0.001 . . . . . . . 271 E H . 50090 1 12 . 1 . 1 8 8 GLU CA C 13 56.776 0.048 . . . . . . . 271 E CA . 50090 1 13 . 1 . 1 8 8 GLU CB C 13 30.233 0.019 . . . . . . . 271 E CB . 50090 1 14 . 1 . 1 8 8 GLU N N 15 121.797 0.009 . . . . . . . 271 E N . 50090 1 15 . 1 . 1 9 9 ARG H H 1 8.362 0.001 . . . . . . . 272 R H . 50090 1 16 . 1 . 1 9 9 ARG CA C 13 56.361 0.080 . . . . . . . 272 R CA . 50090 1 17 . 1 . 1 9 9 ARG CB C 13 30.615 0.063 . . . . . . . 272 R CB . 50090 1 18 . 1 . 1 9 9 ARG N N 15 121.798 0.013 . . . . . . . 272 R N . 50090 1 19 . 1 . 1 10 10 SER H H 1 8.274 0.003 . . . . . . . 273 S H . 50090 1 20 . 1 . 1 10 10 SER CA C 13 58.618 0.085 . . . . . . . 273 S CA . 50090 1 21 . 1 . 1 10 10 SER CB C 13 64.016 0.055 . . . . . . . 273 S CB . 50090 1 22 . 1 . 1 10 10 SER N N 15 116.288 0.021 . . . . . . . 273 S N . 50090 1 23 . 1 . 1 11 11 GLY H H 1 8.378 0.002 . . . . . . . 274 G H . 50090 1 24 . 1 . 1 11 11 GLY CA C 13 45.373 0.013 . . . . . . . 274 G CA . 50090 1 25 . 1 . 1 11 11 GLY N N 15 110.431 0.052 . . . . . . . 274 G N . 50090 1 26 . 1 . 1 12 12 ARG H H 1 8.065 0.002 . . . . . . . 275 R H . 50090 1 27 . 1 . 1 12 12 ARG CA C 13 56.331 0.042 . . . . . . . 275 R CA . 50090 1 28 . 1 . 1 12 12 ARG CB C 13 30.670 0.043 . . . . . . . 275 R CB . 50090 1 29 . 1 . 1 12 12 ARG N N 15 120.318 0.014 . . . . . . . 275 R N . 50090 1 30 . 1 . 1 13 13 PHE H H 1 8.311 0.002 . . . . . . . 276 F H . 50090 1 31 . 1 . 1 13 13 PHE CA C 13 57.623 0.035 . . . . . . . 276 F CA . 50090 1 32 . 1 . 1 13 13 PHE CB C 13 39.482 0.053 . . . . . . . 276 F CB . 50090 1 33 . 1 . 1 13 13 PHE N N 15 120.818 0.010 . . . . . . . 276 F N . 50090 1 34 . 1 . 1 14 14 GLY H H 1 8.264 0.003 . . . . . . . 277 G H . 50090 1 35 . 1 . 1 14 14 GLY CA C 13 45.380 0.071 . . . . . . . 277 G CA . 50090 1 36 . 1 . 1 14 14 GLY N N 15 110.656 0.012 . . . . . . . 277 G N . 50090 1 37 . 1 . 1 15 15 GLY H H 1 7.894 0.001 . . . . . . . 278 G H . 50090 1 38 . 1 . 1 15 15 GLY CA C 13 44.958 0.062 . . . . . . . 278 G CA . 50090 1 39 . 1 . 1 15 15 GLY N N 15 107.812 0.005 . . . . . . . 278 G N . 50090 1 40 . 1 . 1 16 16 ASN H H 1 8.329 0.001 . . . . . . . 279 N H . 50090 1 41 . 1 . 1 16 16 ASN CA C 13 51.376 0.000 . . . . . . . 279 N CA . 50090 1 42 . 1 . 1 16 16 ASN CB C 13 38.879 0.000 . . . . . . . 279 N CB . 50090 1 43 . 1 . 1 16 16 ASN N N 15 119.013 0.020 . . . . . . . 279 N N . 50090 1 44 . 1 . 1 17 17 PRO CA C 13 63.855 0.060 . . . . . . . 280 P CA . 50090 1 45 . 1 . 1 17 17 PRO CB C 13 31.907 0.016 . . . . . . . 280 P CB . 50090 1 46 . 1 . 1 18 18 GLY H H 1 8.381 0.002 . . . . . . . 281 G H . 50090 1 47 . 1 . 1 18 18 GLY CA C 13 45.391 0.047 . . . . . . . 281 G CA . 50090 1 48 . 1 . 1 18 18 GLY N N 15 108.589 0.014 . . . . . . . 281 G N . 50090 1 49 . 1 . 1 19 19 GLY H H 1 8.031 0.001 . . . . . . . 282 G H . 50090 1 50 . 1 . 1 19 19 GLY CA C 13 45.170 0.035 . . . . . . . 282 G CA . 50090 1 51 . 1 . 1 19 19 GLY N N 15 108.120 0.014 . . . . . . . 282 G N . 50090 1 52 . 1 . 1 20 20 PHE H H 1 8.138 0.006 . . . . . . . 283 F H . 50090 1 53 . 1 . 1 20 20 PHE CA C 13 57.927 0.018 . . . . . . . 283 F CA . 50090 1 54 . 1 . 1 20 20 PHE CB C 13 39.559 0.016 . . . . . . . 283 F CB . 50090 1 55 . 1 . 1 20 20 PHE N N 15 119.662 0.058 . . . . . . . 283 F N . 50090 1 56 . 1 . 1 21 21 GLY H H 1 8.393 0.005 . . . . . . . 284 G H . 50090 1 57 . 1 . 1 21 21 GLY CA C 13 45.437 0.051 . . . . . . . 284 G CA . 50090 1 58 . 1 . 1 21 21 GLY N N 15 110.251 0.033 . . . . . . . 284 G N . 50090 1 59 . 1 . 1 22 22 ASN H H 1 8.268 0.005 . . . . . . . 285 N H . 50090 1 60 . 1 . 1 22 22 ASN CA C 13 53.320 0.071 . . . . . . . 285 N CA . 50090 1 61 . 1 . 1 22 22 ASN CB C 13 38.798 0.025 . . . . . . . 285 N CB . 50090 1 62 . 1 . 1 22 22 ASN N N 15 118.566 0.069 . . . . . . . 285 N N . 50090 1 63 . 1 . 1 23 23 GLN H H 1 8.451 0.002 . . . . . . . 286 Q H . 50090 1 64 . 1 . 1 23 23 GLN CA C 13 56.320 0.070 . . . . . . . 286 Q CA . 50090 1 65 . 1 . 1 23 23 GLN CB C 13 29.231 0.020 . . . . . . . 286 Q CB . 50090 1 66 . 1 . 1 23 23 GLN N N 15 120.442 0.019 . . . . . . . 286 Q N . 50090 1 67 . 1 . 1 24 24 GLY H H 1 8.381 0.005 . . . . . . . 287 G H . 50090 1 68 . 1 . 1 24 24 GLY CA C 13 45.453 0.071 . . . . . . . 287 G CA . 50090 1 69 . 1 . 1 24 24 GLY N N 15 109.420 0.045 . . . . . . . 287 G N . 50090 1 70 . 1 . 1 25 25 GLY H H 1 8.103 0.000 . . . . . . . 288 G H . 50090 1 71 . 1 . 1 25 25 GLY CA C 13 45.177 0.041 . . . . . . . 288 G CA . 50090 1 72 . 1 . 1 25 25 GLY N N 15 108.262 0.002 . . . . . . . 288 G N . 50090 1 73 . 1 . 1 26 26 PHE H H 1 8.141 0.005 . . . . . . . 289 F H . 50090 1 74 . 1 . 1 26 26 PHE CA C 13 57.927 0.018 . . . . . . . 289 F CA . 50090 1 75 . 1 . 1 26 26 PHE CB C 13 39.559 0.016 . . . . . . . 289 F CB . 50090 1 76 . 1 . 1 26 26 PHE N N 15 119.648 0.051 . . . . . . . 289 F N . 50090 1 77 . 1 . 1 27 27 GLY H H 1 8.393 0.005 . . . . . . . 290 G H . 50090 1 78 . 1 . 1 27 27 GLY CA C 13 45.437 0.051 . . . . . . . 290 G CA . 50090 1 79 . 1 . 1 27 27 GLY N N 15 110.251 0.033 . . . . . . . 290 G N . 50090 1 80 . 1 . 1 28 28 ASN H H 1 8.271 0.001 . . . . . . . 291 N H . 50090 1 81 . 1 . 1 28 28 ASN CA C 13 53.176 0.131 . . . . . . . 291 N CA . 50090 1 82 . 1 . 1 28 28 ASN CB C 13 38.856 0.031 . . . . . . . 291 N CB . 50090 1 83 . 1 . 1 28 28 ASN N N 15 118.544 0.023 . . . . . . . 291 N N . 50090 1 84 . 1 . 1 29 29 SER H H 1 8.307 0.001 . . . . . . . 292 S H . 50090 1 85 . 1 . 1 29 29 SER CA C 13 58.764 0.070 . . . . . . . 292 S CA . 50090 1 86 . 1 . 1 29 29 SER CB C 13 63.722 0.053 . . . . . . . 292 S CB . 50090 1 87 . 1 . 1 29 29 SER N N 15 116.130 0.016 . . . . . . . 292 S N . 50090 1 88 . 1 . 1 30 30 ARG H H 1 8.366 0.002 . . . . . . . 293 R H . 50090 1 89 . 1 . 1 30 30 ARG CA C 13 56.360 0.020 . . . . . . . 293 R CA . 50090 1 90 . 1 . 1 30 30 ARG CB C 13 30.476 0.069 . . . . . . . 293 R CB . 50090 1 91 . 1 . 1 30 30 ARG N N 15 122.411 0.011 . . . . . . . 293 R N . 50090 1 92 . 1 . 1 31 31 GLY H H 1 8.320 0.001 . . . . . . . 294 G H . 50090 1 93 . 1 . 1 31 31 GLY CA C 13 45.365 0.039 . . . . . . . 294 G CA . 50090 1 94 . 1 . 1 31 31 GLY N N 15 109.436 0.017 . . . . . . . 294 G N . 50090 1 95 . 1 . 1 32 32 GLY H H 1 8.259 0.010 . . . . . . . 295 G H . 50090 1 96 . 1 . 1 32 32 GLY CA C 13 45.354 0.029 . . . . . . . 295 G CA . 50090 1 97 . 1 . 1 32 32 GLY N N 15 108.579 0.040 . . . . . . . 295 G N . 50090 1 98 . 1 . 1 33 33 GLY H H 1 8.288 0.001 . . . . . . . 296 G H . 50090 1 99 . 1 . 1 33 33 GLY CA C 13 45.244 0.042 . . . . . . . 296 G CA . 50090 1 100 . 1 . 1 33 33 GLY N N 15 108.733 0.023 . . . . . . . 296 G N . 50090 1 101 . 1 . 1 34 34 ALA H H 1 8.230 0.001 . . . . . . . 297 A H . 50090 1 102 . 1 . 1 34 34 ALA CA C 13 52.638 0.028 . . . . . . . 297 A CA . 50090 1 103 . 1 . 1 34 34 ALA CB C 13 19.272 0.012 . . . . . . . 297 A CB . 50090 1 104 . 1 . 1 34 34 ALA N N 15 123.621 0.006 . . . . . . . 297 A N . 50090 1 105 . 1 . 1 35 35 GLY H H 1 8.352 0.001 . . . . . . . 298 G H . 50090 1 106 . 1 . 1 35 35 GLY CA C 13 45.397 0.051 . . . . . . . 298 G CA . 50090 1 107 . 1 . 1 35 35 GLY N N 15 107.948 0.013 . . . . . . . 298 G N . 50090 1 108 . 1 . 1 36 36 LEU H H 1 8.093 0.000 . . . . . . . 299 L H . 50090 1 109 . 1 . 1 36 36 LEU CA C 13 55.204 0.066 . . . . . . . 299 L CA . 50090 1 110 . 1 . 1 36 36 LEU CB C 13 42.378 0.030 . . . . . . . 299 L CB . 50090 1 111 . 1 . 1 36 36 LEU N N 15 121.260 0.005 . . . . . . . 299 L N . 50090 1 112 . 1 . 1 37 37 GLY H H 1 8.411 0.002 . . . . . . . 300 G H . 50090 1 113 . 1 . 1 37 37 GLY CA C 13 45.483 0.044 . . . . . . . 300 G CA . 50090 1 114 . 1 . 1 37 37 GLY N N 15 109.121 0.036 . . . . . . . 300 G N . 50090 1 115 . 1 . 1 38 38 ASN H H 1 8.271 0.001 . . . . . . . 301 N H . 50090 1 116 . 1 . 1 38 38 ASN CA C 13 53.233 0.128 . . . . . . . 301 N CA . 50090 1 117 . 1 . 1 38 38 ASN CB C 13 38.800 0.027 . . . . . . . 301 N CB . 50090 1 118 . 1 . 1 38 38 ASN N N 15 118.544 0.023 . . . . . . . 301 N N . 50090 1 119 . 1 . 1 39 39 ASN H H 1 8.455 0.001 . . . . . . . 302 N H . 50090 1 120 . 1 . 1 39 39 ASN CA C 13 53.498 0.047 . . . . . . . 302 N CA . 50090 1 121 . 1 . 1 39 39 ASN CB C 13 38.717 0.029 . . . . . . . 302 N CB . 50090 1 122 . 1 . 1 39 39 ASN N N 15 119.004 0.015 . . . . . . . 302 N N . 50090 1 123 . 1 . 1 40 40 GLN H H 1 8.336 0.001 . . . . . . . 303 Q H . 50090 1 124 . 1 . 1 40 40 GLN CA C 13 56.300 0.079 . . . . . . . 303 Q CA . 50090 1 125 . 1 . 1 40 40 GLN CB C 13 29.259 0.020 . . . . . . . 303 Q CB . 50090 1 126 . 1 . 1 40 40 GLN N N 15 120.428 0.027 . . . . . . . 303 Q N . 50090 1 127 . 1 . 1 41 41 GLY H H 1 8.383 0.004 . . . . . . . 304 G H . 50090 1 128 . 1 . 1 41 41 GLY CA C 13 45.427 0.076 . . . . . . . 304 G CA . 50090 1 129 . 1 . 1 41 41 GLY N N 15 109.442 0.039 . . . . . . . 304 G N . 50090 1 130 . 1 . 1 42 42 SER H H 1 8.175 0.001 . . . . . . . 305 S H . 50090 1 131 . 1 . 1 42 42 SER CA C 13 58.451 0.115 . . . . . . . 305 S CA . 50090 1 132 . 1 . 1 42 42 SER CB C 13 63.937 0.052 . . . . . . . 305 S CB . 50090 1 133 . 1 . 1 42 42 SER N N 15 115.428 0.044 . . . . . . . 305 S N . 50090 1 134 . 1 . 1 43 43 ASN H H 1 8.492 0.000 . . . . . . . 306 N H . 50090 1 135 . 1 . 1 43 43 ASN CA C 13 53.381 0.082 . . . . . . . 306 N CA . 50090 1 136 . 1 . 1 43 43 ASN CB C 13 38.585 0.020 . . . . . . . 306 N CB . 50090 1 137 . 1 . 1 43 43 ASN N N 15 120.446 0.031 . . . . . . . 306 N N . 50090 1 138 . 1 . 1 44 44 MET H H 1 8.301 0.002 . . . . . . . 307 M H . 50090 1 139 . 1 . 1 44 44 MET CA C 13 55.688 0.033 . . . . . . . 307 M CA . 50090 1 140 . 1 . 1 44 44 MET CB C 13 32.504 0.106 . . . . . . . 307 M CB . 50090 1 141 . 1 . 1 44 44 MET N N 15 120.294 0.063 . . . . . . . 307 M N . 50090 1 142 . 1 . 1 45 45 GLY H H 1 8.371 0.003 . . . . . . . 308 G H . 50090 1 143 . 1 . 1 45 45 GLY CA C 13 45.487 0.036 . . . . . . . 308 G CA . 50090 1 144 . 1 . 1 45 45 GLY N N 15 109.531 0.047 . . . . . . . 308 G N . 50090 1 145 . 1 . 1 46 46 GLY H H 1 8.239 0.010 . . . . . . . 309 G H . 50090 1 146 . 1 . 1 46 46 GLY CA C 13 45.400 0.029 . . . . . . . 309 G CA . 50090 1 147 . 1 . 1 46 46 GLY N N 15 108.583 0.008 . . . . . . . 309 G N . 50090 1 148 . 1 . 1 47 47 GLY H H 1 8.272 0.001 . . . . . . . 310 G H . 50090 1 149 . 1 . 1 47 47 GLY CA C 13 45.315 0.056 . . . . . . . 310 G CA . 50090 1 150 . 1 . 1 47 47 GLY N N 15 108.521 0.007 . . . . . . . 310 G N . 50090 1 151 . 1 . 1 48 48 MET H H 1 8.172 0.001 . . . . . . . 311 M H . 50090 1 152 . 1 . 1 48 48 MET CA C 13 55.432 0.060 . . . . . . . 311 M CA . 50090 1 153 . 1 . 1 48 48 MET CB C 13 32.774 0.011 . . . . . . . 311 M CB . 50090 1 154 . 1 . 1 48 48 MET N N 15 119.342 0.009 . . . . . . . 311 M N . 50090 1 155 . 1 . 1 49 49 ASN H H 1 8.313 0.003 . . . . . . . 312 N H . 50090 1 156 . 1 . 1 49 49 ASN CA C 13 52.959 0.064 . . . . . . . 312 N CA . 50090 1 157 . 1 . 1 49 49 ASN CB C 13 38.737 0.039 . . . . . . . 312 N CB . 50090 1 158 . 1 . 1 49 49 ASN N N 15 119.367 0.025 . . . . . . . 312 N N . 50090 1 159 . 1 . 1 50 50 PHE H H 1 8.211 0.003 . . . . . . . 313 F H . 50090 1 160 . 1 . 1 50 50 PHE CA C 13 58.175 0.088 . . . . . . . 313 F CA . 50090 1 161 . 1 . 1 50 50 PHE CB C 13 39.279 0.064 . . . . . . . 313 F CB . 50090 1 162 . 1 . 1 50 50 PHE N N 15 120.880 0.027 . . . . . . . 313 F N . 50090 1 163 . 1 . 1 51 51 GLY H H 1 8.281 0.003 . . . . . . . 314 G H . 50090 1 164 . 1 . 1 51 51 GLY CA C 13 45.523 0.048 . . . . . . . 314 G CA . 50090 1 165 . 1 . 1 51 51 GLY N N 15 109.860 0.028 . . . . . . . 314 G N . 50090 1 166 . 1 . 1 52 52 ALA H H 1 7.994 0.001 . . . . . . . 315 A H . 50090 1 167 . 1 . 1 52 52 ALA CA C 13 52.677 0.057 . . . . . . . 315 A CA . 50090 1 168 . 1 . 1 52 52 ALA CB C 13 19.035 0.048 . . . . . . . 315 A CB . 50090 1 169 . 1 . 1 52 52 ALA N N 15 123.566 0.005 . . . . . . . 315 A N . 50090 1 170 . 1 . 1 53 53 PHE H H 1 8.023 0.003 . . . . . . . 316 F H . 50090 1 171 . 1 . 1 53 53 PHE CA C 13 57.559 0.044 . . . . . . . 316 F CA . 50090 1 172 . 1 . 1 53 53 PHE CB C 13 39.538 0.031 . . . . . . . 316 F CB . 50090 1 173 . 1 . 1 53 53 PHE N N 15 118.128 0.027 . . . . . . . 316 F N . 50090 1 174 . 1 . 1 54 54 SER H H 1 8.013 0.002 . . . . . . . 317 S H . 50090 1 175 . 1 . 1 54 54 SER CA C 13 58.181 0.067 . . . . . . . 317 S CA . 50090 1 176 . 1 . 1 54 54 SER CB C 13 63.962 0.020 . . . . . . . 317 S CB . 50090 1 177 . 1 . 1 54 54 SER N N 15 116.543 0.008 . . . . . . . 317 S N . 50090 1 178 . 1 . 1 55 55 ILE H H 1 7.983 0.001 . . . . . . . 318 I H . 50090 1 179 . 1 . 1 55 55 ILE CA C 13 60.849 0.075 . . . . . . . 318 I CA . 50090 1 180 . 1 . 1 55 55 ILE CB C 13 38.969 0.055 . . . . . . . 318 I CB . 50090 1 181 . 1 . 1 55 55 ILE N N 15 121.312 0.013 . . . . . . . 318 I N . 50090 1 182 . 1 . 1 56 56 ASN H H 1 8.241 0.001 . . . . . . . 319 N H . 50090 1 183 . 1 . 1 56 56 ASN CA C 13 51.200 0.000 . . . . . . . 319 N CA . 50090 1 184 . 1 . 1 56 56 ASN CB C 13 38.914 0.000 . . . . . . . 319 N CB . 50090 1 185 . 1 . 1 56 56 ASN N N 15 123.267 0.007 . . . . . . . 319 N N . 50090 1 186 . 1 . 1 57 57 PRO CA C 13 64.577 0.018 . . . . . . . 320 P CA . 50090 1 187 . 1 . 1 57 57 PRO CB C 13 31.974 0.036 . . . . . . . 320 P CB . 50090 1 188 . 1 . 1 58 58 ALA H H 1 8.115 0.001 . . . . . . . 321 A H . 50090 1 189 . 1 . 1 58 58 ALA CA C 13 53.881 0.068 . . . . . . . 321 A CA . 50090 1 190 . 1 . 1 58 58 ALA CB C 13 18.541 0.008 . . . . . . . 321 A CB . 50090 1 191 . 1 . 1 58 58 ALA N N 15 121.169 0.006 . . . . . . . 321 A N . 50090 1 192 . 1 . 1 59 59 MET H H 1 7.947 0.002 . . . . . . . 322 M H . 50090 1 193 . 1 . 1 59 59 MET CA C 13 56.414 0.026 . . . . . . . 322 M CA . 50090 1 194 . 1 . 1 59 59 MET CB C 13 32.719 0.046 . . . . . . . 322 M CB . 50090 1 195 . 1 . 1 59 59 MET N N 15 118.004 0.011 . . . . . . . 322 M N . 50090 1 196 . 1 . 1 60 60 MET H H 1 7.954 0.002 . . . . . . . 323 M H . 50090 1 197 . 1 . 1 60 60 MET CA C 13 56.798 0.041 . . . . . . . 323 M CA . 50090 1 198 . 1 . 1 60 60 MET CB C 13 32.681 0.061 . . . . . . . 323 M CB . 50090 1 199 . 1 . 1 60 60 MET N N 15 120.234 0.008 . . . . . . . 323 M N . 50090 1 200 . 1 . 1 61 61 ALA H H 1 8.157 0.001 . . . . . . . 324 A H . 50090 1 201 . 1 . 1 61 61 ALA CA C 13 53.773 0.029 . . . . . . . 324 A CA . 50090 1 202 . 1 . 1 61 61 ALA CB C 13 18.552 0.025 . . . . . . . 324 A CB . 50090 1 203 . 1 . 1 61 61 ALA N N 15 123.383 0.015 . . . . . . . 324 A N . 50090 1 204 . 1 . 1 62 62 ALA H H 1 8.041 0.001 . . . . . . . 325 A H . 50090 1 205 . 1 . 1 62 62 ALA CA C 13 53.748 0.005 . . . . . . . 325 A CA . 50090 1 206 . 1 . 1 62 62 ALA CB C 13 18.579 0.003 . . . . . . . 325 A CB . 50090 1 207 . 1 . 1 62 62 ALA N N 15 121.996 0.024 . . . . . . . 325 A N . 50090 1 208 . 1 . 1 63 63 ALA H H 1 8.042 0.002 . . . . . . . 326 A H . 50090 1 209 . 1 . 1 63 63 ALA CA C 13 53.673 0.085 . . . . . . . 326 A CA . 50090 1 210 . 1 . 1 63 63 ALA CB C 13 18.622 0.031 . . . . . . . 326 A CB . 50090 1 211 . 1 . 1 63 63 ALA N N 15 121.972 0.024 . . . . . . . 326 A N . 50090 1 212 . 1 . 1 64 64 GLN H H 1 8.060 0.001 . . . . . . . 327 Q H . 50090 1 213 . 1 . 1 64 64 GLN CA C 13 57.236 0.088 . . . . . . . 327 Q CA . 50090 1 214 . 1 . 1 64 64 GLN CB C 13 28.831 0.056 . . . . . . . 327 Q CB . 50090 1 215 . 1 . 1 64 64 GLN N N 15 118.075 0.013 . . . . . . . 327 Q N . 50090 1 216 . 1 . 1 65 65 ALA H H 1 8.046 0.002 . . . . . . . 328 A H . 50090 1 217 . 1 . 1 65 65 ALA CA C 13 53.651 0.026 . . . . . . . 328 A CA . 50090 1 218 . 1 . 1 65 65 ALA CB C 13 18.656 0.008 . . . . . . . 328 A CB . 50090 1 219 . 1 . 1 65 65 ALA N N 15 123.145 0.013 . . . . . . . 328 A N . 50090 1 220 . 1 . 1 66 66 ALA H H 1 7.916 0.001 . . . . . . . 329 A H . 50090 1 221 . 1 . 1 66 66 ALA CA C 13 53.266 0.121 . . . . . . . 329 A CA . 50090 1 222 . 1 . 1 66 66 ALA CB C 13 18.749 0.018 . . . . . . . 329 A CB . 50090 1 223 . 1 . 1 66 66 ALA N N 15 121.238 0.010 . . . . . . . 329 A N . 50090 1 224 . 1 . 1 67 67 LEU H H 1 7.854 0.001 . . . . . . . 330 L H . 50090 1 225 . 1 . 1 67 67 LEU CA C 13 55.893 0.099 . . . . . . . 330 L CA . 50090 1 226 . 1 . 1 67 67 LEU CB C 13 42.092 0.052 . . . . . . . 330 L CB . 50090 1 227 . 1 . 1 67 67 LEU N N 15 119.925 0.013 . . . . . . . 330 L N . 50090 1 228 . 1 . 1 68 68 GLN H H 1 8.088 0.001 . . . . . . . 331 Q H . 50090 1 229 . 1 . 1 68 68 GLN CA C 13 56.487 0.013 . . . . . . . 331 Q CA . 50090 1 230 . 1 . 1 68 68 GLN CB C 13 29.125 0.026 . . . . . . . 331 Q CB . 50090 1 231 . 1 . 1 68 68 GLN N N 15 119.535 0.014 . . . . . . . 331 Q N . 50090 1 232 . 1 . 1 69 69 SER H H 1 8.191 0.003 . . . . . . . 332 S H . 50090 1 233 . 1 . 1 69 69 SER CA C 13 58.799 0.159 . . . . . . . 332 S CA . 50090 1 234 . 1 . 1 69 69 SER CB C 13 63.739 0.065 . . . . . . . 332 S CB . 50090 1 235 . 1 . 1 69 69 SER N N 15 115.577 0.018 . . . . . . . 332 S N . 50090 1 236 . 1 . 1 70 70 SER H H 1 8.096 0.001 . . . . . . . 333 S H . 50090 1 237 . 1 . 1 70 70 SER CA C 13 59.142 0.001 . . . . . . . 333 S CA . 50090 1 238 . 1 . 1 70 70 SER CB C 13 63.591 0.051 . . . . . . . 333 S CB . 50090 1 239 . 1 . 1 70 70 SER N N 15 117.108 0.008 . . . . . . . 333 S N . 50090 1 240 . 1 . 1 71 71 TRP H H 1 8.060 0.001 . . . . . . . 334 W H . 50090 1 241 . 1 . 1 71 71 TRP CA C 13 57.974 0.037 . . . . . . . 334 W CA . 50090 1 242 . 1 . 1 71 71 TRP CB C 13 29.392 0.031 . . . . . . . 334 W CB . 50090 1 243 . 1 . 1 71 71 TRP N N 15 122.750 0.008 . . . . . . . 334 W N . 50090 1 244 . 1 . 1 72 72 ASP H H 1 8.190 0.001 . . . . . . . 335 D H . 50090 1 245 . 1 . 1 72 72 ASP CA C 13 54.892 0.088 . . . . . . . 335 D CA . 50090 1 246 . 1 . 1 72 72 ASP CB C 13 40.716 0.023 . . . . . . . 335 D CB . 50090 1 247 . 1 . 1 72 72 ASP N N 15 120.838 0.009 . . . . . . . 335 D N . 50090 1 248 . 1 . 1 73 73 MET H H 1 8.027 0.001 . . . . . . . 336 M H . 50090 1 249 . 1 . 1 73 73 MET CA C 13 56.561 0.038 . . . . . . . 336 M CA . 50090 1 250 . 1 . 1 73 73 MET CB C 13 32.450 0.249 . . . . . . . 336 M CB . 50090 1 251 . 1 . 1 73 73 MET N N 15 119.943 0.014 . . . . . . . 336 M N . 50090 1 252 . 1 . 1 74 74 MET H H 1 8.159 0.003 . . . . . . . 337 M H . 50090 1 253 . 1 . 1 74 74 MET CA C 13 56.602 0.057 . . . . . . . 337 M CA . 50090 1 254 . 1 . 1 74 74 MET CB C 13 32.120 0.032 . . . . . . . 337 M CB . 50090 1 255 . 1 . 1 74 74 MET N N 15 118.677 0.008 . . . . . . . 337 M N . 50090 1 256 . 1 . 1 75 75 GLY H H 1 8.203 0.002 . . . . . . . 338 G H . 50090 1 257 . 1 . 1 75 75 GLY CA C 13 46.007 0.006 . . . . . . . 338 G CA . 50090 1 258 . 1 . 1 75 75 GLY N N 15 108.743 0.015 . . . . . . . 338 G N . 50090 1 259 . 1 . 1 76 76 MET H H 1 8.025 0.002 . . . . . . . 339 M H . 50090 1 260 . 1 . 1 76 76 MET CA C 13 56.460 0.064 . . . . . . . 339 M CA . 50090 1 261 . 1 . 1 76 76 MET CB C 13 32.706 0.007 . . . . . . . 339 M CB . 50090 1 262 . 1 . 1 76 76 MET N N 15 119.940 0.010 . . . . . . . 339 M N . 50090 1 263 . 1 . 1 77 77 LEU H H 1 8.141 0.001 . . . . . . . 340 L H . 50090 1 264 . 1 . 1 77 77 LEU CA C 13 55.888 0.113 . . . . . . . 340 L CA . 50090 1 265 . 1 . 1 77 77 LEU CB C 13 42.143 0.005 . . . . . . . 340 L CB . 50090 1 266 . 1 . 1 77 77 LEU N N 15 121.807 0.013 . . . . . . . 340 L N . 50090 1 267 . 1 . 1 78 78 ALA H H 1 8.132 0.001 . . . . . . . 341 A H . 50090 1 268 . 1 . 1 78 78 ALA CA C 13 53.322 0.072 . . . . . . . 341 A CA . 50090 1 269 . 1 . 1 78 78 ALA CB C 13 18.834 0.037 . . . . . . . 341 A CB . 50090 1 270 . 1 . 1 78 78 ALA N N 15 123.530 0.013 . . . . . . . 341 A N . 50090 1 271 . 1 . 1 79 79 SER H H 1 8.037 0.002 . . . . . . . 342 S H . 50090 1 272 . 1 . 1 79 79 SER CA C 13 58.962 0.047 . . . . . . . 342 S CA . 50090 1 273 . 1 . 1 79 79 SER CB C 13 63.596 0.011 . . . . . . . 342 S CB . 50090 1 274 . 1 . 1 79 79 SER N N 15 113.602 0.016 . . . . . . . 342 S N . 50090 1 275 . 1 . 1 80 80 GLN H H 1 8.143 0.001 . . . . . . . 343 Q H . 50090 1 276 . 1 . 1 80 80 GLN CA C 13 56.287 0.057 . . . . . . . 343 Q CA . 50090 1 277 . 1 . 1 80 80 GLN CB C 13 29.203 0.022 . . . . . . . 343 Q CB . 50090 1 278 . 1 . 1 80 80 GLN N N 15 121.241 0.011 . . . . . . . 343 Q N . 50090 1 279 . 1 . 1 81 81 GLN H H 1 8.196 0.002 . . . . . . . 344 Q H . 50090 1 280 . 1 . 1 81 81 GLN CA C 13 56.257 0.064 . . . . . . . 344 Q CA . 50090 1 281 . 1 . 1 81 81 GLN CB C 13 29.242 0.006 . . . . . . . 344 Q CB . 50090 1 282 . 1 . 1 81 81 GLN N N 15 120.053 0.003 . . . . . . . 344 Q N . 50090 1 283 . 1 . 1 82 82 ASN H H 1 8.367 0.001 . . . . . . . 345 N H . 50090 1 284 . 1 . 1 82 82 ASN CA C 13 53.520 0.075 . . . . . . . 345 N CA . 50090 1 285 . 1 . 1 82 82 ASN CB C 13 38.764 0.007 . . . . . . . 345 N CB . 50090 1 286 . 1 . 1 82 82 ASN N N 15 119.108 0.005 . . . . . . . 345 N N . 50090 1 287 . 1 . 1 83 83 GLN H H 1 8.338 0.004 . . . . . . . 346 Q H . 50090 1 288 . 1 . 1 83 83 GLN CA C 13 56.095 0.113 . . . . . . . 346 Q CA . 50090 1 289 . 1 . 1 83 83 GLN CB C 13 29.359 0.055 . . . . . . . 346 Q CB . 50090 1 290 . 1 . 1 83 83 GLN N N 15 120.491 0.072 . . . . . . . 346 Q N . 50090 1 291 . 1 . 1 84 84 SER H H 1 8.331 0.003 . . . . . . . 347 S H . 50090 1 292 . 1 . 1 84 84 SER CA C 13 58.495 0.100 . . . . . . . 347 S CA . 50090 1 293 . 1 . 1 84 84 SER CB C 13 64.041 0.019 . . . . . . . 347 S CB . 50090 1 294 . 1 . 1 84 84 SER N N 15 116.543 0.012 . . . . . . . 347 S N . 50090 1 295 . 1 . 1 85 85 GLY H H 1 8.184 0.002 . . . . . . . 348 G H . 50090 1 296 . 1 . 1 85 85 GLY CA C 13 44.698 0.000 . . . . . . . 348 G CA . 50090 1 297 . 1 . 1 85 85 GLY N N 15 110.450 0.009 . . . . . . . 348 G N . 50090 1 298 . 1 . 1 86 86 PRO CA C 13 63.355 0.000 . . . . . . . 349 P CA . 50090 1 299 . 1 . 1 86 86 PRO CB C 13 32.053 0.029 . . . . . . . 349 P CB . 50090 1 300 . 1 . 1 87 87 SER H H 1 8.443 0.001 . . . . . . . 350 S H . 50090 1 301 . 1 . 1 87 87 SER CA C 13 58.596 0.096 . . . . . . . 350 S CA . 50090 1 302 . 1 . 1 87 87 SER CB C 13 63.937 0.055 . . . . . . . 350 S CB . 50090 1 303 . 1 . 1 87 87 SER N N 15 115.847 0.021 . . . . . . . 350 S N . 50090 1 304 . 1 . 1 88 88 GLY H H 1 8.322 0.003 . . . . . . . 351 G H . 50090 1 305 . 1 . 1 88 88 GLY CA C 13 45.478 0.040 . . . . . . . 351 G CA . 50090 1 306 . 1 . 1 88 88 GLY N N 15 110.342 0.023 . . . . . . . 351 G N . 50090 1 307 . 1 . 1 89 89 ASN H H 1 8.270 0.002 . . . . . . . 352 N H . 50090 1 308 . 1 . 1 89 89 ASN CA C 13 53.245 0.116 . . . . . . . 352 N CA . 50090 1 309 . 1 . 1 89 89 ASN CB C 13 38.813 0.014 . . . . . . . 352 N CB . 50090 1 310 . 1 . 1 89 89 ASN N N 15 118.514 0.036 . . . . . . . 352 N N . 50090 1 311 . 1 . 1 90 90 ASN H H 1 8.430 0.002 . . . . . . . 353 N H . 50090 1 312 . 1 . 1 90 90 ASN CA C 13 53.559 0.077 . . . . . . . 353 N CA . 50090 1 313 . 1 . 1 90 90 ASN CB C 13 38.652 0.034 . . . . . . . 353 N CB . 50090 1 314 . 1 . 1 90 90 ASN N N 15 119.055 0.014 . . . . . . . 353 N N . 50090 1 315 . 1 . 1 91 91 GLN H H 1 8.362 0.002 . . . . . . . 354 Q H . 50090 1 316 . 1 . 1 91 91 GLN CA C 13 56.280 0.035 . . . . . . . 354 Q CA . 50090 1 317 . 1 . 1 91 91 GLN CB C 13 29.179 0.009 . . . . . . . 354 Q CB . 50090 1 318 . 1 . 1 91 91 GLN N N 15 120.020 0.007 . . . . . . . 354 Q N . 50090 1 319 . 1 . 1 92 92 ASN H H 1 8.426 0.003 . . . . . . . 355 N H . 50090 1 320 . 1 . 1 92 92 ASN CA C 13 53.559 0.077 . . . . . . . 355 N CA . 50090 1 321 . 1 . 1 92 92 ASN CB C 13 38.652 0.034 . . . . . . . 355 N CB . 50090 1 322 . 1 . 1 92 92 ASN N N 15 119.024 0.026 . . . . . . . 355 N N . 50090 1 323 . 1 . 1 93 93 GLN H H 1 8.361 0.004 . . . . . . . 356 Q H . 50090 1 324 . 1 . 1 93 93 GLN CA C 13 56.334 0.004 . . . . . . . 356 Q CA . 50090 1 325 . 1 . 1 93 93 GLN CB C 13 29.236 0.041 . . . . . . . 356 Q CB . 50090 1 326 . 1 . 1 93 93 GLN N N 15 120.024 0.004 . . . . . . . 356 Q N . 50090 1 327 . 1 . 1 94 94 GLY H H 1 8.407 0.002 . . . . . . . 357 G H . 50090 1 328 . 1 . 1 94 94 GLY CA C 13 45.483 0.044 . . . . . . . 357 G CA . 50090 1 329 . 1 . 1 94 94 GLY N N 15 109.248 0.045 . . . . . . . 357 G N . 50090 1 330 . 1 . 1 95 95 ASN H H 1 8.270 0.002 . . . . . . . 358 N H . 50090 1 331 . 1 . 1 95 95 ASN CA C 13 53.292 0.064 . . . . . . . 358 N CA . 50090 1 332 . 1 . 1 95 95 ASN CB C 13 38.761 0.068 . . . . . . . 358 N CB . 50090 1 333 . 1 . 1 95 95 ASN N N 15 118.514 0.036 . . . . . . . 358 N N . 50090 1 334 . 1 . 1 96 96 MET H H 1 8.285 0.008 . . . . . . . 359 M H . 50090 1 335 . 1 . 1 96 96 MET CA C 13 55.682 0.088 . . . . . . . 359 M CA . 50090 1 336 . 1 . 1 96 96 MET CB C 13 32.681 0.045 . . . . . . . 359 M CB . 50090 1 337 . 1 . 1 96 96 MET N N 15 120.377 0.034 . . . . . . . 359 M N . 50090 1 338 . 1 . 1 97 97 GLN H H 1 8.329 0.001 . . . . . . . 360 Q H . 50090 1 339 . 1 . 1 97 97 GLN CA C 13 55.906 0.062 . . . . . . . 360 Q CA . 50090 1 340 . 1 . 1 97 97 GLN CB C 13 29.240 0.012 . . . . . . . 360 Q CB . 50090 1 341 . 1 . 1 97 97 GLN N N 15 121.220 0.009 . . . . . . . 360 Q N . 50090 1 342 . 1 . 1 98 98 ARG H H 1 8.286 0.003 . . . . . . . 361 R H . 50090 1 343 . 1 . 1 98 98 ARG CA C 13 56.046 0.167 . . . . . . . 361 R CA . 50090 1 344 . 1 . 1 98 98 ARG CB C 13 31.103 0.011 . . . . . . . 361 R CB . 50090 1 345 . 1 . 1 98 98 ARG N N 15 122.329 0.007 . . . . . . . 361 R N . 50090 1 346 . 1 . 1 99 99 GLU H H 1 8.415 0.002 . . . . . . . 362 E H . 50090 1 347 . 1 . 1 99 99 GLU CA C 13 54.525 0.000 . . . . . . . 362 E CA . 50090 1 348 . 1 . 1 99 99 GLU CB C 13 29.604 0.000 . . . . . . . 362 E CB . 50090 1 349 . 1 . 1 99 99 GLU N N 15 123.152 0.008 . . . . . . . 362 E N . 50090 1 350 . 1 . 1 100 100 PRO CA C 13 63.535 0.132 . . . . . . . 363 P CA . 50090 1 351 . 1 . 1 100 100 PRO CB C 13 32.014 0.013 . . . . . . . 363 P CB . 50090 1 352 . 1 . 1 101 101 ASN H H 1 8.472 0.001 . . . . . . . 364 N H . 50090 1 353 . 1 . 1 101 101 ASN CA C 13 53.502 0.070 . . . . . . . 364 N CA . 50090 1 354 . 1 . 1 101 101 ASN CB C 13 38.614 0.023 . . . . . . . 364 N CB . 50090 1 355 . 1 . 1 101 101 ASN N N 15 117.840 0.008 . . . . . . . 364 N N . 50090 1 356 . 1 . 1 102 102 GLN H H 1 8.210 0.001 . . . . . . . 365 Q H . 50090 1 357 . 1 . 1 102 102 GLN CA C 13 55.944 0.084 . . . . . . . 365 Q CA . 50090 1 358 . 1 . 1 102 102 GLN CB C 13 29.418 0.005 . . . . . . . 365 Q CB . 50090 1 359 . 1 . 1 102 102 GLN N N 15 120.610 0.046 . . . . . . . 365 Q N . 50090 1 360 . 1 . 1 103 103 ALA H H 1 8.221 0.002 . . . . . . . 366 A H . 50090 1 361 . 1 . 1 103 103 ALA CA C 13 52.558 0.007 . . . . . . . 366 A CA . 50090 1 362 . 1 . 1 103 103 ALA CB C 13 19.079 0.020 . . . . . . . 366 A CB . 50090 1 363 . 1 . 1 103 103 ALA N N 15 124.750 0.018 . . . . . . . 366 A N . 50090 1 364 . 1 . 1 104 104 PHE H H 1 8.141 0.003 . . . . . . . 367 F H . 50090 1 365 . 1 . 1 104 104 PHE CA C 13 57.756 0.100 . . . . . . . 367 F CA . 50090 1 366 . 1 . 1 104 104 PHE CB C 13 39.502 0.005 . . . . . . . 367 F CB . 50090 1 367 . 1 . 1 104 104 PHE N N 15 119.286 0.015 . . . . . . . 367 F N . 50090 1 368 . 1 . 1 105 105 GLY H H 1 8.256 0.008 . . . . . . . 368 G H . 50090 1 369 . 1 . 1 105 105 GLY CA C 13 45.405 0.044 . . . . . . . 368 G CA . 50090 1 370 . 1 . 1 105 105 GLY N N 15 110.618 0.028 . . . . . . . 368 G N . 50090 1 371 . 1 . 1 106 106 SER H H 1 8.215 0.004 . . . . . . . 369 S H . 50090 1 372 . 1 . 1 106 106 SER CA C 13 58.604 0.110 . . . . . . . 369 S CA . 50090 1 373 . 1 . 1 106 106 SER CB C 13 63.975 0.021 . . . . . . . 369 S CB . 50090 1 374 . 1 . 1 106 106 SER N N 15 115.514 0.003 . . . . . . . 369 S N . 50090 1 375 . 1 . 1 107 107 GLY H H 1 8.461 0.002 . . . . . . . 370 G H . 50090 1 376 . 1 . 1 107 107 GLY CA C 13 45.470 0.035 . . . . . . . 370 G CA . 50090 1 377 . 1 . 1 107 107 GLY N N 15 110.618 0.087 . . . . . . . 370 G N . 50090 1 378 . 1 . 1 108 108 ASN H H 1 8.270 0.002 . . . . . . . 371 N H . 50090 1 379 . 1 . 1 108 108 ASN CA C 13 53.255 0.106 . . . . . . . 371 N CA . 50090 1 380 . 1 . 1 108 108 ASN CB C 13 38.806 0.020 . . . . . . . 371 N CB . 50090 1 381 . 1 . 1 108 108 ASN N N 15 118.514 0.036 . . . . . . . 371 N N . 50090 1 382 . 1 . 1 109 109 ASN H H 1 8.404 0.001 . . . . . . . 372 N H . 50090 1 383 . 1 . 1 109 109 ASN CA C 13 53.399 0.093 . . . . . . . 372 N CA . 50090 1 384 . 1 . 1 109 109 ASN CB C 13 38.845 0.007 . . . . . . . 372 N CB . 50090 1 385 . 1 . 1 109 109 ASN N N 15 119.217 0.007 . . . . . . . 372 N N . 50090 1 386 . 1 . 1 110 110 SER H H 1 8.188 0.006 . . . . . . . 373 S H . 50090 1 387 . 1 . 1 110 110 SER CA C 13 58.565 0.001 . . . . . . . 373 S CA . 50090 1 388 . 1 . 1 110 110 SER CB C 13 63.763 0.031 . . . . . . . 373 S CB . 50090 1 389 . 1 . 1 110 110 SER N N 15 115.636 0.085 . . . . . . . 373 S N . 50090 1 390 . 1 . 1 111 111 TYR H H 1 8.179 0.002 . . . . . . . 374 Y H . 50090 1 391 . 1 . 1 111 111 TYR CA C 13 57.993 0.074 . . . . . . . 374 Y CA . 50090 1 392 . 1 . 1 111 111 TYR CB C 13 38.629 0.026 . . . . . . . 374 Y CB . 50090 1 393 . 1 . 1 111 111 TYR N N 15 121.971 0.011 . . . . . . . 374 Y N . 50090 1 394 . 1 . 1 112 112 SER H H 1 8.200 0.001 . . . . . . . 375 S H . 50090 1 395 . 1 . 1 112 112 SER CA C 13 58.258 0.040 . . . . . . . 375 S CA . 50090 1 396 . 1 . 1 112 112 SER CB C 13 63.847 0.066 . . . . . . . 375 S CB . 50090 1 397 . 1 . 1 112 112 SER N N 15 117.830 0.010 . . . . . . . 375 S N . 50090 1 398 . 1 . 1 113 113 GLY H H 1 7.864 0.000 . . . . . . . 376 G H . 50090 1 399 . 1 . 1 113 113 GLY CA C 13 45.398 0.045 . . . . . . . 376 G CA . 50090 1 400 . 1 . 1 113 113 GLY N N 15 110.351 0.006 . . . . . . . 376 G N . 50090 1 401 . 1 . 1 114 114 SER H H 1 8.176 0.002 . . . . . . . 377 S H . 50090 1 402 . 1 . 1 114 114 SER CA C 13 58.461 0.105 . . . . . . . 377 S CA . 50090 1 403 . 1 . 1 114 114 SER CB C 13 63.920 0.069 . . . . . . . 377 S CB . 50090 1 404 . 1 . 1 114 114 SER N N 15 115.416 0.069 . . . . . . . 377 S N . 50090 1 405 . 1 . 1 115 115 ASN H H 1 8.480 0.002 . . . . . . . 378 N H . 50090 1 406 . 1 . 1 115 115 ASN CA C 13 53.366 0.128 . . . . . . . 378 N CA . 50090 1 407 . 1 . 1 115 115 ASN CB C 13 38.791 0.041 . . . . . . . 378 N CB . 50090 1 408 . 1 . 1 115 115 ASN N N 15 120.743 0.014 . . . . . . . 378 N N . 50090 1 409 . 1 . 1 116 116 SER H H 1 8.262 0.002 . . . . . . . 379 S H . 50090 1 410 . 1 . 1 116 116 SER CA C 13 58.784 0.054 . . . . . . . 379 S CA . 50090 1 411 . 1 . 1 116 116 SER CB C 13 63.827 0.041 . . . . . . . 379 S CB . 50090 1 412 . 1 . 1 116 116 SER N N 15 116.037 0.028 . . . . . . . 379 S N . 50090 1 413 . 1 . 1 117 117 GLY H H 1 8.364 0.005 . . . . . . . 380 G H . 50090 1 414 . 1 . 1 117 117 GLY CA C 13 45.418 0.052 . . . . . . . 380 G CA . 50090 1 415 . 1 . 1 117 117 GLY N N 15 110.700 0.031 . . . . . . . 380 G N . 50090 1 416 . 1 . 1 118 118 ALA H H 1 7.965 0.001 . . . . . . . 381 A H . 50090 1 417 . 1 . 1 118 118 ALA CA C 13 52.442 0.027 . . . . . . . 381 A CA . 50090 1 418 . 1 . 1 118 118 ALA CB C 13 19.361 0.003 . . . . . . . 381 A CB . 50090 1 419 . 1 . 1 118 118 ALA N N 15 123.483 0.003 . . . . . . . 381 A N . 50090 1 420 . 1 . 1 119 119 ALA H H 1 8.128 0.000 . . . . . . . 382 A H . 50090 1 421 . 1 . 1 119 119 ALA CA C 13 52.411 0.015 . . . . . . . 382 A CA . 50090 1 422 . 1 . 1 119 119 ALA CB C 13 19.023 0.058 . . . . . . . 382 A CB . 50090 1 423 . 1 . 1 119 119 ALA N N 15 123.004 0.004 . . . . . . . 382 A N . 50090 1 424 . 1 . 1 120 120 ILE H H 1 7.947 0.001 . . . . . . . 383 I H . 50090 1 425 . 1 . 1 120 120 ILE CA C 13 61.294 0.083 . . . . . . . 383 I CA . 50090 1 426 . 1 . 1 120 120 ILE CB C 13 38.684 0.051 . . . . . . . 383 I CB . 50090 1 427 . 1 . 1 120 120 ILE N N 15 119.460 0.003 . . . . . . . 383 I N . 50090 1 428 . 1 . 1 121 121 GLY H H 1 8.266 0.001 . . . . . . . 384 G H . 50090 1 429 . 1 . 1 121 121 GLY CA C 13 45.237 0.026 . . . . . . . 384 G CA . 50090 1 430 . 1 . 1 121 121 GLY N N 15 112.231 0.012 . . . . . . . 384 G N . 50090 1 431 . 1 . 1 122 122 TRP H H 1 8.024 0.001 . . . . . . . 385 W H . 50090 1 432 . 1 . 1 122 122 TRP CA C 13 57.613 0.027 . . . . . . . 385 W CA . 50090 1 433 . 1 . 1 122 122 TRP CB C 13 29.659 0.057 . . . . . . . 385 W CB . 50090 1 434 . 1 . 1 122 122 TRP N N 15 121.159 0.004 . . . . . . . 385 W N . 50090 1 435 . 1 . 1 123 123 GLY H H 1 8.266 0.002 . . . . . . . 386 G H . 50090 1 436 . 1 . 1 123 123 GLY CA C 13 45.422 0.025 . . . . . . . 386 G CA . 50090 1 437 . 1 . 1 123 123 GLY N N 15 110.668 0.020 . . . . . . . 386 G N . 50090 1 438 . 1 . 1 124 124 SER H H 1 8.082 0.001 . . . . . . . 387 S H . 50090 1 439 . 1 . 1 124 124 SER CA C 13 58.374 0.079 . . . . . . . 387 S CA . 50090 1 440 . 1 . 1 124 124 SER CB C 13 63.985 0.031 . . . . . . . 387 S CB . 50090 1 441 . 1 . 1 124 124 SER N N 15 115.586 0.009 . . . . . . . 387 S N . 50090 1 442 . 1 . 1 125 125 ALA H H 1 8.352 0.001 . . . . . . . 388 A H . 50090 1 443 . 1 . 1 125 125 ALA CA C 13 52.691 0.022 . . . . . . . 388 A CA . 50090 1 444 . 1 . 1 125 125 ALA CB C 13 19.133 0.035 . . . . . . . 388 A CB . 50090 1 445 . 1 . 1 125 125 ALA N N 15 125.672 0.021 . . . . . . . 388 A N . 50090 1 446 . 1 . 1 126 126 SER H H 1 8.190 0.002 . . . . . . . 389 S H . 50090 1 447 . 1 . 1 126 126 SER CA C 13 58.589 0.104 . . . . . . . 389 S CA . 50090 1 448 . 1 . 1 126 126 SER CB C 13 63.740 0.043 . . . . . . . 389 S CB . 50090 1 449 . 1 . 1 126 126 SER N N 15 114.418 0.013 . . . . . . . 389 S N . 50090 1 450 . 1 . 1 127 127 ASN H H 1 8.297 0.002 . . . . . . . 390 N H . 50090 1 451 . 1 . 1 127 127 ASN CA C 13 53.194 0.117 . . . . . . . 390 N CA . 50090 1 452 . 1 . 1 127 127 ASN CB C 13 38.794 0.005 . . . . . . . 390 N CB . 50090 1 453 . 1 . 1 127 127 ASN N N 15 120.472 0.030 . . . . . . . 390 N N . 50090 1 454 . 1 . 1 128 128 ALA H H 1 8.186 0.001 . . . . . . . 391 A H . 50090 1 455 . 1 . 1 128 128 ALA CA C 13 52.928 0.081 . . . . . . . 391 A CA . 50090 1 456 . 1 . 1 128 128 ALA CB C 13 19.069 0.034 . . . . . . . 391 A CB . 50090 1 457 . 1 . 1 128 128 ALA N N 15 124.007 0.009 . . . . . . . 391 A N . 50090 1 458 . 1 . 1 129 129 GLY H H 1 8.291 0.001 . . . . . . . 392 G H . 50090 1 459 . 1 . 1 129 129 GLY CA C 13 45.379 0.035 . . . . . . . 392 G CA . 50090 1 460 . 1 . 1 129 129 GLY N N 15 107.845 0.013 . . . . . . . 392 G N . 50090 1 461 . 1 . 1 130 130 SER H H 1 8.174 0.002 . . . . . . . 393 S H . 50090 1 462 . 1 . 1 130 130 SER CA C 13 58.563 0.091 . . . . . . . 393 S CA . 50090 1 463 . 1 . 1 130 130 SER CB C 13 63.972 0.036 . . . . . . . 393 S CB . 50090 1 464 . 1 . 1 130 130 SER N N 15 115.465 0.031 . . . . . . . 393 S N . 50090 1 465 . 1 . 1 131 131 GLY H H 1 8.460 0.002 . . . . . . . 394 G H . 50090 1 466 . 1 . 1 131 131 GLY CA C 13 45.415 0.055 . . . . . . . 394 G CA . 50090 1 467 . 1 . 1 131 131 GLY N N 15 110.784 0.120 . . . . . . . 394 G N . 50090 1 468 . 1 . 1 132 132 SER H H 1 8.216 0.002 . . . . . . . 395 S H . 50090 1 469 . 1 . 1 132 132 SER CA C 13 58.590 0.092 . . . . . . . 395 S CA . 50090 1 470 . 1 . 1 132 132 SER CB C 13 63.993 0.055 . . . . . . . 395 S CB . 50090 1 471 . 1 . 1 132 132 SER N N 15 115.512 0.001 . . . . . . . 395 S N . 50090 1 472 . 1 . 1 133 133 GLY H H 1 8.377 0.003 . . . . . . . 396 G H . 50090 1 473 . 1 . 1 133 133 GLY CA C 13 45.280 0.118 . . . . . . . 396 G CA . 50090 1 474 . 1 . 1 133 133 GLY N N 15 110.462 0.089 . . . . . . . 396 G N . 50090 1 475 . 1 . 1 134 134 PHE H H 1 8.109 0.001 . . . . . . . 397 F H . 50090 1 476 . 1 . 1 134 134 PHE CA C 13 57.906 0.024 . . . . . . . 397 F CA . 50090 1 477 . 1 . 1 134 134 PHE CB C 13 39.526 0.020 . . . . . . . 397 F CB . 50090 1 478 . 1 . 1 134 134 PHE N N 15 120.212 0.075 . . . . . . . 397 F N . 50090 1 479 . 1 . 1 135 135 ASN H H 1 8.414 0.001 . . . . . . . 398 N H . 50090 1 480 . 1 . 1 135 135 ASN CA C 13 53.135 0.132 . . . . . . . 398 N CA . 50090 1 481 . 1 . 1 135 135 ASN CB C 13 38.770 0.018 . . . . . . . 398 N CB . 50090 1 482 . 1 . 1 135 135 ASN N N 15 121.477 0.013 . . . . . . . 398 N N . 50090 1 483 . 1 . 1 136 136 GLY H H 1 7.788 0.001 . . . . . . . 399 G H . 50090 1 484 . 1 . 1 136 136 GLY CA C 13 45.537 0.098 . . . . . . . 399 G CA . 50090 1 485 . 1 . 1 136 136 GLY N N 15 108.480 0.016 . . . . . . . 399 G N . 50090 1 486 . 1 . 1 137 137 GLY H H 1 8.031 0.001 . . . . . . . 400 G H . 50090 1 487 . 1 . 1 137 137 GLY CA C 13 45.134 0.067 . . . . . . . 400 G CA . 50090 1 488 . 1 . 1 137 137 GLY N N 15 108.120 0.014 . . . . . . . 400 G N . 50090 1 489 . 1 . 1 138 138 PHE H H 1 8.117 0.006 . . . . . . . 401 F H . 50090 1 490 . 1 . 1 138 138 PHE CA C 13 57.964 0.033 . . . . . . . 401 F CA . 50090 1 491 . 1 . 1 138 138 PHE CB C 13 39.575 0.037 . . . . . . . 401 F CB . 50090 1 492 . 1 . 1 138 138 PHE N N 15 119.926 0.126 . . . . . . . 401 F N . 50090 1 493 . 1 . 1 139 139 GLY H H 1 8.372 0.002 . . . . . . . 402 G H . 50090 1 494 . 1 . 1 139 139 GLY CA C 13 45.389 0.038 . . . . . . . 402 G CA . 50090 1 495 . 1 . 1 139 139 GLY N N 15 110.714 0.044 . . . . . . . 402 G N . 50090 1 496 . 1 . 1 140 140 SER H H 1 8.174 0.002 . . . . . . . 403 S H . 50090 1 497 . 1 . 1 140 140 SER CA C 13 58.368 0.198 . . . . . . . 403 S CA . 50090 1 498 . 1 . 1 140 140 SER CB C 13 64.040 0.052 . . . . . . . 403 S CB . 50090 1 499 . 1 . 1 140 140 SER N N 15 115.465 0.031 . . . . . . . 403 S N . 50090 1 500 . 1 . 1 141 141 SER H H 1 8.397 0.001 . . . . . . . 404 S H . 50090 1 501 . 1 . 1 141 141 SER CA C 13 58.711 0.109 . . . . . . . 404 S CA . 50090 1 502 . 1 . 1 141 141 SER CB C 13 63.771 0.054 . . . . . . . 404 S CB . 50090 1 503 . 1 . 1 141 141 SER N N 15 117.564 0.002 . . . . . . . 404 S N . 50090 1 504 . 1 . 1 142 142 MET H H 1 8.352 0.001 . . . . . . . 405 M H . 50090 1 505 . 1 . 1 142 142 MET CA C 13 55.793 0.123 . . . . . . . 405 M CA . 50090 1 506 . 1 . 1 142 142 MET CB C 13 32.659 0.029 . . . . . . . 405 M CB . 50090 1 507 . 1 . 1 142 142 MET N N 15 121.709 0.014 . . . . . . . 405 M N . 50090 1 508 . 1 . 1 143 143 ASP H H 1 8.200 0.001 . . . . . . . 406 D H . 50090 1 509 . 1 . 1 143 143 ASP CA C 13 54.395 0.107 . . . . . . . 406 D CA . 50090 1 510 . 1 . 1 143 143 ASP CB C 13 41.229 0.025 . . . . . . . 406 D CB . 50090 1 511 . 1 . 1 143 143 ASP N N 15 120.960 0.006 . . . . . . . 406 D N . 50090 1 512 . 1 . 1 144 144 SER H H 1 8.207 0.002 . . . . . . . 407 S H . 50090 1 513 . 1 . 1 144 144 SER CA C 13 58.945 0.049 . . . . . . . 407 S CA . 50090 1 514 . 1 . 1 144 144 SER CB C 13 63.558 0.013 . . . . . . . 407 S CB . 50090 1 515 . 1 . 1 144 144 SER N N 15 116.560 0.008 . . . . . . . 407 S N . 50090 1 516 . 1 . 1 145 145 LYS H H 1 8.278 0.001 . . . . . . . 408 K H . 50090 1 517 . 1 . 1 145 145 LYS CA C 13 56.549 0.127 . . . . . . . 408 K CA . 50090 1 518 . 1 . 1 145 145 LYS CB C 13 32.678 0.063 . . . . . . . 408 K CB . 50090 1 519 . 1 . 1 145 145 LYS N N 15 122.499 0.033 . . . . . . . 408 K N . 50090 1 520 . 1 . 1 146 146 SER H H 1 8.173 0.001 . . . . . . . 409 S H . 50090 1 521 . 1 . 1 146 146 SER CA C 13 58.552 0.128 . . . . . . . 409 S CA . 50090 1 522 . 1 . 1 146 146 SER CB C 13 63.820 0.021 . . . . . . . 409 S CB . 50090 1 523 . 1 . 1 146 146 SER N N 15 116.076 0.016 . . . . . . . 409 S N . 50090 1 524 . 1 . 1 147 147 SER H H 1 8.256 0.001 . . . . . . . 410 S H . 50090 1 525 . 1 . 1 147 147 SER CA C 13 58.739 0.070 . . . . . . . 410 S CA . 50090 1 526 . 1 . 1 147 147 SER CB C 13 63.804 0.022 . . . . . . . 410 S CB . 50090 1 527 . 1 . 1 147 147 SER N N 15 117.429 0.005 . . . . . . . 410 S N . 50090 1 528 . 1 . 1 148 148 GLY H H 1 8.270 0.001 . . . . . . . 411 G H . 50090 1 529 . 1 . 1 148 148 GLY CA C 13 45.375 0.048 . . . . . . . 411 G CA . 50090 1 530 . 1 . 1 148 148 GLY N N 15 110.243 0.019 . . . . . . . 411 G N . 50090 1 531 . 1 . 1 149 149 TRP H H 1 8.001 0.001 . . . . . . . 412 W H . 50090 1 532 . 1 . 1 149 149 TRP CA C 13 57.625 0.039 . . . . . . . 412 W CA . 50090 1 533 . 1 . 1 149 149 TRP CB C 13 29.502 0.044 . . . . . . . 412 W CB . 50090 1 534 . 1 . 1 149 149 TRP N N 15 120.873 0.007 . . . . . . . 412 W N . 50090 1 535 . 1 . 1 150 150 GLY H H 1 8.226 0.001 . . . . . . . 413 G H . 50090 1 536 . 1 . 1 150 150 GLY CA C 13 45.522 0.037 . . . . . . . 413 G CA . 50090 1 537 . 1 . 1 150 150 GLY N N 15 111.413 0.005 . . . . . . . 413 G N . 50090 1 538 . 1 . 1 151 151 MET H H 1 7.635 0.001 . . . . . . . 414 M H . 50090 1 539 . 1 . 1 151 151 MET CA C 13 56.921 0.000 . . . . . . . 414 M CA . 50090 1 540 . 1 . 1 151 151 MET CB C 13 33.747 0.000 . . . . . . . 414 M CB . 50090 1 541 . 1 . 1 151 151 MET N N 15 124.573 0.009 . . . . . . . 414 M N . 50090 1 stop_ save_